4-(triazolo[4,5-b]pyridin-3-yl)phenol

C11H8N4O — CID 117159378

IUPAC4-(triazolo[4,5-b]pyridin-3-yl)phenol
SMILESOc1ccc(-n2nnc3cccnc32)cc1
InChIInChI=1S/C11H8N4O/c16-9-5-3-8(4-6-9)15-11-10(13-14-15)2-1-7-12-11/h1-7,16H
InChIKeyAJDCCXFTGCRCMI-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.52
Rot. Bonds1

About 4-(triazolo[4,5-b]pyridin-3-yl)phenol

4-(triazolo[4,5-b]pyridin-3-yl)phenol (PubChem CID 117159378) has the molecular formula C11H8N4O and a molecular weight of 212.21 g/mol. Its IUPAC name is 4-(triazolo[4,5-b]pyridin-3-yl)phenol.

Molecular Properties

Compound Name4-(triazolo[4,5-b]pyridin-3-yl)phenol
PubChem CID117159378
Molecular FormulaC11H8N4O
Molecular Weight212.21 g/mol
Exact Mass212.07
IUPAC Name4-(triazolo[4,5-b]pyridin-3-yl)phenol
SMILESOc1ccc(-n2nnc3cccnc32)cc1
InChIInChI=1S/C11H8N4O/c16-9-5-3-8(4-6-9)15-11-10(13-14-15)2-1-7-12-11/h1-7,16H
InChIKeyAJDCCXFTGCRCMI-UHFFFAOYSA-N
XLogP1.52
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(triazolo[4,5-b]pyridin-3-yl)phenol?
The IUPAC name of 4-(triazolo[4,5-b]pyridin-3-yl)phenol (CID 117159378) is 4-(triazolo[4,5-b]pyridin-3-yl)phenol.
What is the SMILES notation for 4-(triazolo[4,5-b]pyridin-3-yl)phenol?
The canonical SMILES for 4-(triazolo[4,5-b]pyridin-3-yl)phenol is Oc1ccc(-n2nnc3cccnc32)cc1.
What is the InChIKey of 4-(triazolo[4,5-b]pyridin-3-yl)phenol?
The InChIKey is AJDCCXFTGCRCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O/c16-9-5-3-8(4-6-9)15-11-10(13-14-15)2-1-7-12-11/h1-7,16H.
What are the key properties of 4-(triazolo[4,5-b]pyridin-3-yl)phenol?
4-(triazolo[4,5-b]pyridin-3-yl)phenol has a molecular weight of 212.21 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(triazolo[4,5-b]pyridin-3-yl)phenol is sourced from PubChem (CID 117159378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).